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Information card for entry 4027157
Preview
Coordinates | 4027157.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H17 Cl N2 O5 |
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Calculated formula | C23 H17 Cl N2 O5 |
SMILES | Clc1ccc2N(C(=O)[C@]3(c2c1)C(=C[C@H]1[C@@H]3C(=O)N(C1=O)c1ccccc1)C(=O)OC)C |
Title of publication | Diastereo- and Enantioselective [3 + 2] Cycloaddition Reaction of Morita-Baylis-Hillman Carbonates of Isatins with N-Phenylmaleimide Catalyzed by Me-DuPhos |
Authors of publication | Yan Wang; Li Liu; Tao Zhang; Neng-Jun Zhong; Dong Wang; Yong-Jun Chen |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2012 |
Journal volume | 77 |
Pages of publication | 4143 - 4147 |
a | 6.0223 ± 0.0012 Å |
b | 15.207 ± 0.003 Å |
c | 22.588 ± 0.005 Å |
α | 90° |
β | 93.22 ± 0.03° |
γ | 90° |
Cell volume | 2065.4 ± 0.7 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0727 |
Residual factor for significantly intense reflections | 0.0646 |
Weighted residual factors for significantly intense reflections | 0.1257 |
Weighted residual factors for all reflections included in the refinement | 0.1313 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.122 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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